Geometry & MOs

Info

ID:	405894
PubChem CID:	135075893
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	349.061804
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	4.7
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-chloro-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CCCN1C2=C(C=C(C=C2)OC)Br

DOS

IR

Vibrations